
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.0789    3.6414    1.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990    2.9311   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5478    2.4243    2.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623    1.7263   -0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1114    7.5680   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510    5.6417   -1.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907    7.8053   -1.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312    5.7949   -2.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330    5.3559    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463    3.9300    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385    1.4834    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6265    0.2885    1.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7839   -0.4974    0.2431 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583   -0.5353    2.3257 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845    0.6450    1.7270 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2433    6.1597   -0.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    7.1804   -2.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369    4.3905    2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806    3.1205   -1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9562    2.2346    3.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795    1.0087   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251    8.1398   -0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7263    7.9877    0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844    4.6089   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790    6.2198   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8062    8.8801   -2.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287    7.4538   -1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871    5.3779   -3.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    5.2659   -2.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7137    5.3394   -0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959    5.8162    1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 16  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  5  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 17  8  1  0  0  0  0
M  END
>  <ID>
Z2856434871

>  <Barcode>
9990531694

>  <Well>
E02

>  <Plate_ID>
816280-06

>  <MW>
245.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	13
3	C	10
4	C	9
5	C	14
6	C	15
7	C	17
8	C	16
9	C	8
10	C	11
11	C	3
12	C	1
13	F	4
14	F	5
15	F	6
16	N	2
17	O	7
18	H	22
19	H	23
20	H	21
21	H	20
22	H	24
23	H	25
24	H	26
25	H	27
26	H	30
27	H	31
28	H	28
29	H	29
30	H	18
31	H	19


> <ALATIS_Mixture_Map>

$$$$
